SMILES:
O=[N+]([O-])c1ccc2sccc2c1Molecular Processing
Molecular formula
C8H5NO2S
Molecular weight
179.2
Exact mass
179.0041
XLogP
2.81
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.48
Supplementary Information
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